Abstract： A classical coset Hamiltonian is introduced for the system of one electron in multi-sites. By this Hamiltonian, the dynamical behaviour of the electronic motion can be readily simulated. The simulation reproduces the retardation of the electron density decay in a lattice with site energies randomly distributed - an analogy with Anderson localization. This algorithm is also applied to reproduce the Hammett equation which relates the reaction rate with the property of the substitutions in the organic chemical reactions. The advantages and shortcomings of this algorithm, as contrasted with traditional quantum methods such as the molecular orbital theory, are also discussed.
(Theory of electronic transport; scattering mechanisms)
引用本文:
XING Guan;WU Guo-Zhen. Classical Coset Hamiltonian for the Electronic Motion and its
Application to Anderson Localization and Hammett Equation
[J]. 中国物理快报, 2001, 18(2): 157-159.
XING Guan, WU Guo-Zhen. Classical Coset Hamiltonian for the Electronic Motion and its
Application to Anderson Localization and Hammett Equation
. Chin. Phys. Lett., 2001, 18(2): 157-159.
2001, Vol. 18 
